FEMO treatment of all trans-polyenes with parametric energy dependences S. R. La Paglia Commentationes 26 January 2005 Pages: 89 - 96
Ionization potentials and electron affinities of carbo- and heterocyclicπ-conjugated molecules Tosiyasu L. KuniiHaruo Kuroda Commentationes 26 January 2005 Pages: 97 - 106
Berechnung ketten- und ringförmiger Phosphorwasserstoffe nach einem erweiterten MO-LCAO-Verfahren K. IssleibW. Gründler Commentationes 26 January 2005 Pages: 107 - 118
Rôle de la polarisation dans les moments dipolaires des complexes dits ≪ de transfert de charge ≫ Marie-José Mantione Commentationes 26 January 2005 Pages: 119 - 127
Recherches sur la géometrie de quelques hydrocarbures non-alternants: Cas des molécules possédant plusieurs structures possibles (pentalène, heptalène, azulène) Philippe FrançoisAndré Julg Commentationes 26 January 2005 Pages: 128 - 134
The determination of SCF LCAO solutions for open shell configurations Derek H. Sleeman Commentationes 26 January 2005 Pages: 135 - 144
The electronic structures of pyridine-N-oxide and related compounds E. M. Evleth Commentationes 26 January 2005 Pages: 145 - 155
Unrestricted Hartree-Fock calculations of spin density distributions in the radical anions of some heterocycles derived from thiophene, furan and pyrrole N. K. RayP. T. Narasimhan Relationes 26 January 2005 Pages: 156 - 158
On the calculation of molecular dipole moments Claude Giessner-PrettreAlberte Pullman Relationes 26 January 2005 Pages: 159 - 164
Zero-field splittings in aromatic triplet states Colin Thomson Relationes 26 January 2005 Pages: 165 - 166
Electronic spectra of the 2-oxypurine isomers J. S. Kwiatkowski Relationes 26 January 2005 Pages: 167 - 168
Structure électronique comparée des isomères conjugués du benzène Lionel PraudPhilippe MillieGaston Berthier Relationes 26 January 2005 Pages: 169 - 173
Repulsion integral parametrization of the SCF LCAO MO CI method for nitrogen heteroaromates H. Chojnacki Relationes 26 January 2005 Pages: 174 - 177
A molecular orbital study of the difluorodiazine (N2F2) system W. C. HerndonJ. FeuerL. H. Hall Relationes 26 January 2005 Pages: 178 - 181
